Geometry & MOs

Info

ID:	84930
PubChem CID:	49870715
Reduced:	ClO2N5C26H32 (1)
Stoich.:	AB2C5D26E32 (1)
Weight, g/mol:	473.255753
ΔH_f, kcal/mol:	-39.95
Dipole, Da:	7.22
IP(EA), eV:	-8.66(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(3-chloro-2-methylphenyl)piperazin-1-yl]-2-hydroxypropyl]-1-cyclopentyl-2,5-dimethylimidazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1Cl)N2CCN(CC2)CC(CNC(=O)C3=C(N(C(=N3)C)C4=CC=CC=C4)C)O

DOS

IR

Vibrations